SCHEMBL6428814

SCHEMBL6428814

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
CHEK1 O14757 2/20 0.39
CDK4 P11802 2/20 0.39
CCNA2 P20248 2/20 0.39
CCND1 P24385 2/20 0.39
CDK2 P24941 2/20 0.39
CCND3 P30281 2/20 0.39
KDR P35968 2/20 0.39
LCK P06239 1/20 0.39
FGFR1 P11362 1/20 0.39
HPGDS O60760 1/20 0.39
BRD9 Q9H8M2 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A1 P04798 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6426065 0.93 HPGDS (0.37) KDM4EALDH1A1CHEK1HPGDSBRD9
SCHEMBL6426893 0.93 TUBB1 (0.39) KDM4EALDH1A1HPGDSBRD9HPGD
SCHEMBL13927767 0.90 HPGDS (0.38) KDM4EALDH1A1HPGDSBRD9HPGD
SCHEMBL6425792 0.89 HPGDS (0.44) KDM4EALDH1A1HPGDSHPGDKMT2A
SCHEMBL5031205 0.88 HPGDS (0.37) KDM4EALDH1A1HPGDSBRD9SPR
SCHEMBL6426042 0.87 POLB (0.53) KDM4EALDH1A1POLBAPEX1HPGD
SCHEMBL6426848 0.87 CHEK1 (0.40) KDM4EALDH1A1CHEK1CDK4CCNA2
SCHEMBL5031127 0.87 HPGDS (0.36) KDM4ECHEK1CDK4CCNA2CCND1
SCHEMBL6426431 0.87 HPGDS (0.40) CDK2KDRLCKFGFR1HPGDS
SCHEMBL5031207 0.86 HPGDS (0.37) ALDH1A1HPGDSBRD9HPGDCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KDM4E 2622/4885ALDH1A1 2731/4885CHEK1 952/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885ALDH1A1 2713/4885CHEK1 657/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.